2,3,6-Trichlorobenzaldehyde

C₇H₃Cl₃OCAS 4659-47-6209.45 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃Cl₃O
Molar mass: 209.45 g/mol
Exact mass: 207.9249 Da
Melting point: 86–87 °C
logP: 3.46Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

4659-47-6

SMILES

O=Cc1c(Cl)ccc(Cl)c1Cl

InChIKey

AURSMWWOMOVHBM-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzaldehyde, 2,3,6-trichloro-

Work with 2,3,6-Trichlorobenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichlorobenzaldehyde83-38-563 % similar 2,6-Dichloro-3-nitrobenzaldehyde5866-97-758 % similar 2,3-Dichlorobenzaldehyde6334-18-554 % similar 2-Chloro-6-hydroxybenzaldehyde18362-30-652 % similar 2-Bromo-6-chlorobenzaldehyde64622-16-852 % similar 6-Chloro-2,3-difluorobenzaldehyde797791-33-452 % similar 2-Chloro-6-methylbenzaldehyde1194-64-550 % similar 2-Chloro-6-fluorobenzaldehyde387-45-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trichlorobenzaldehyde24473-00-5 2,3-Dichlorobenzoyl chloride2905-60-4 2,5-Dichlorobenzoyl chloride2905-61-5 3,5-Dichlorobenzoyl chloride2905-62-6 3,4-Dichlorobenzoyl chloride3024-72-4 2,6-Dichlorobenzoyl chloride4659-45-4 2,3,5-Trichlorobenzaldehyde56961-75-2 2,4-Dichlorobenzoyl chloride89-75-8

Elsewhere

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